Prop.hpp

// Reaktoro is a unified framework for modeling chemically reactive phases.
//
// Copyright © 2014-2024 Allan Leal
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library. If not, see <http://www.gnu.org/licenses/>.
 
#pragma once
 
// Reaktoro includes
#include <Reaktoro/Common/Types.hpp>
 
namespace Reaktoro {
 
// Forward declarations
class ChemicalProps;
class ChemicalSystem;
 
using PropFn = Fn<real(const ChemicalProps& props)>;
 
class Prop
{
public:
    explicit Prop(const PropFn& propfn);
 
    auto eval(const ChemicalProps& props) -> real;
 
    auto operator()(const ChemicalProps& props) -> real;
 
    static auto elementAmount(const ChemicalSystem& system, const String& element) -> Prop;
 
    static auto elementAmountInPhase(const ChemicalSystem& system, const String& element, const String& phase) -> Prop;
 
    static auto elementMass(const ChemicalSystem& system, const String& element) -> Prop;
 
    static auto elementMassInPhase(const ChemicalSystem& system, const String& element, const String& phase) -> Prop;
 
    static auto speciesAmount(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesMass(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesMoleFraction(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesActivityCoefficient(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesActivity(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesChemicalPotential(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesStandardVolume(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesStandardGibbsEnergy(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesStandardEnthalpy(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesStandardEntropy(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesStandardInternalEnergy(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesStandardHelmholtzEnergy(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesStandardHeatCapacitiesConstP(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto speciesStandardHeatCapacitiesConstV(const ChemicalSystem& system, const String& species) -> Prop;
 
    static auto phaseAmount(const ChemicalSystem& system, const String& phase) -> Prop;
 
    static auto phaseMass(const ChemicalSystem& system, const String& phase) -> Prop;
 
    static auto phaseVolume(const ChemicalSystem& system, const String& phase) -> Prop;
 
    static auto phaseGibbsEnergy(const ChemicalSystem& system, const String& phase) -> Prop;
 
    static auto phaseEnthalpy(const ChemicalSystem& system, const String& phase) -> Prop;
 
    static auto phaseEntropy(const ChemicalSystem& system, const String& phase) -> Prop;
 
    static auto phaseInternalEnergy(const ChemicalSystem& system, const String& phase) -> Prop;
 
    static auto phaseHelmholtzEnergy(const ChemicalSystem& system, const String& phase) -> Prop;
 
    static auto temperature(const ChemicalSystem& system) -> Prop;
 
    static auto pressure(const ChemicalSystem& system) -> Prop;
 
    static auto amount(const ChemicalSystem& system) -> Prop;
 
    static auto mass(const ChemicalSystem& system) -> Prop;
 
    static auto volume(const ChemicalSystem& system) -> Prop;
 
    static auto gibbsEnergy(const ChemicalSystem& system) -> Prop;
 
    static auto enthalpy(const ChemicalSystem& system) -> Prop;
 
    static auto entropy(const ChemicalSystem& system) -> Prop;
 
    static auto internalEnergy(const ChemicalSystem& system) -> Prop;
 
    static auto helmholtzEnergy(const ChemicalSystem& system) -> Prop;
 
private:
    PropFn propfn;
};
 
} // namespace Reaktoro